[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxo-acetate CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-oxoacetic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetate Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-keto-acetic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C(=O)C1=C(N(N=C1C)C2=CC=CC=C2)C

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C(=O)C1=C(N(N=C1C)C2=CC=CC=C2)C

InChI

InChI=1S/C20H25N3O4/c1-5-9-13(2)21-17(24)12-27-20(26)19(25)18-14(3)22-23(15(18)4)16-10-7-6-8-11-16/h6-8,10-11,13H,5,9,12H2,1-4H3,(H,21,24)